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5-Nitroquinoline

CAT: 0013-GTR19254358-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19254358-02Size:2 g
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Description
5-Nitroquinoline , with CAS No. 607-34-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 5-Nitroquinoline provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
607-34-1
Product Name Alternative
Compound 607 34 1, Compound 607341
Purity
99.24% (May vary between batches)
Smiles
[O-][N+] (=O) C1=CC=CC2=NC=CC=C12
Molecular Formula
C9H6N2O2
Molecular Weight
174.159
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

5-Nitroquinoline

structure given in first source

CAS Number607-34-1
PubChem CID11829
IUPAC Name5-nitroquinoline
Molecular FormulaC9H6N2O2
Molecular Weight174.16
XLogP1.9
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity202
SMILES
C1=CC2=C(C=CC=N2)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
InChIKey
NDDZXHOCOKCNBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitroquinoline
CAS: 607-34-1
CID: 11829
Formula: C9H6N2O2
MW: 174.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.16
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass174.042927438
Monoisotopic Mass174.042927438
Topological Polar Surface Area58.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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